propan-2-yl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4H-thiochromeno[4,3-b]pyran-3-carboxylate

Systemtic Name: propan-2-yl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: isopropyl (4S)-2-amino-5-oxo-4-(3-pyridyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-(3-pyridinyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-2-amino-5-oxo-4-pyridin-3-yl-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(3-pyridyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid isopropyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)SC4=CC=CC=C42)N

Isomeric SMILES

CC(C)OC(=O)C1=C(OC2=C([C@H]1C3=CN=CC=C3)C(=O)SC4=CC=CC=C42)N

InChI

InChI=1S/C21H18N2O4S/c1-11(2)26-20(24)17-15(12-6-5-9-23-10-12)16-18(27-19(17)22)13-7-3-4-8-14(13)28-21(16)25/h3-11,15H,22H2,1-2H3/t15-/m1/s1